SCHEMBL28111000

SCHEMBL28111000

O=Cc1c[nH]c2nc(Br)c(Br)nc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
CYP2A6 P11509 3/20 0.36
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
IMPDH2 P12268 1/20 0.32
PIM3 Q86V86 2/20 0.31
PIM1 P11309 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
HASPIN Q8TF76 1/20 0.31
MAPK1 P28482 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15569859 0.86 KMT2A (0.36) KMT2ACYP2A6TRIM24TRIM33CCNT1
SCHEMBL1352440 0.77 MAPK1 (0.57) KMT2ACYP2A6TRIM24TRIM33IMPDH2
SCHEMBL28006116 0.69 KMT2A (0.40) KMT2ACYP2A6IMPDH2CCNT1CDK9
SCHEMBL12253387 0.69 KMT2A (0.40) KMT2ATRIM24TRIM33CCNT1CDK9
SCHEMBL23830299 0.69 KMT2A (0.40) KMT2ACYP2A6IMPDH2CCNT1CDK9
SCHEMBL1696892 0.68 KMT2A (0.55) KMT2ACYP2A6TRIM24TRIM33IMPDH2
SCHEMBL5263827 0.68 KMT2A (0.54) KMT2ACYP2A6TRIM24TRIM33IMPDH2
SCHEMBL31748624 0.63 CYP2A6 (0.41) KMT2ACYP2A6TRIM24TRIM33IMPDH2
SCHEMBL23094481 0.63 CDK8 (0.40) KMT2ACYP2A6TRIM24TRIM33CCNT1
SCHEMBL16044258 0.62 CYP2A6 (0.51) KMT2ACYP2A6IMPDH2PIM3PIM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106061973-A Pyrrolo [2,3-D ] pyrimidinyl, pyrrolo [2,3-B ] pyrazinyl and pyrrolo [2,3-D ] pyridylacrylamide 辉瑞公司 2016-10-26 CN disclosed